2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C21H17N5O2S/c1-2-26-19(17-11-13-7-3-6-10-16(13)28-17)24-25-21(26)29-12-18-22-15-9-5-4-8-14(15)20(27)23-18/h3-11H,2,12H2,1H3,(H,22,23,27)